SCHEMBL4531902

SCHEMBL4531902

NNC(=O)CCNC(N)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CTSD P07339 1/20 0.44
KDM5C P41229 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
ALDH1A1 P00352 4/20 0.39
PTGS2 P35354 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
THPO P40225 1/20 0.33
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4525713 0.87 CTSD (0.41) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL28506497 0.78 KDM4E (0.50) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL17234163 0.76
SCHEMBL1934843 0.76 KDM4E (0.54) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL15244413 0.74 KDM4E (0.46) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL11429181 0.74 CTSD (0.52) KDM4ECTSDKDM5CPHF8KDM2A
Hydrochloric Acid SCHEMBL27490262 0.74 ECE1 (0.45) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL14437942 0.73 KDM4E (0.44) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL9286824 0.73 CTSD (0.50) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL7783179 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB KDM4E 4820/4885CTSD 2519/4885KDM5C 4867/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KDM4E 4801/4885CTSD 4199/4885KDM5C 4839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.